Monday, October 29, 2012

http://ChemLookup.com Compounds




CAS RN: 19153-98-1
CAS Name: trisodium gold(1+) disulfite
OPENEYE Name: trisodium gold(1+) disulfite
IUPAC Name: trisodium gold(1+) disulfite
SYSTEMATIC NAME: trisodium gold(1+) disulfite
MOLECULAR FORMULA: AuNa3O6S2
MOLECULAR WEIGHT: 426.06226
SMILES: [O-]S(=O)[O-].[O-]S(=O)[O-].[Na+].[Na+].[Na+].[Au+]
Structure:

CAS RN: 19098-16-9
CAS Name: hydroxylamine; phosphoric acid
OPENEYE Name: hydroxylamine; phosphoric acid
IUPAC Name: hydroxylamine; phosphoric acid
SYSTEMATIC NAME: azinous acid; phosphoric acid
MOLECULAR FORMULA: H6NO5P
MOLECULAR WEIGHT: 131.025101
SMILES: NO.OP(=O)(O)O
Structure:

CAS RN: 19090-60-9
CAS Name: diammonium hexanedioate
OPENEYE Name: diammonium hexanedioate
IUPAC Name: diazanium hexanedioate
SYSTEMATIC NAME: diazanium hexanedioate
MOLECULAR FORMULA: C6H16N2O4
MOLECULAR WEIGHT: 180.20224
SMILES: C(CCC(=O)[O-])CC(=O)[O-].[NH4+].[NH4+]
Structure:

CAS RN: 19025-97-9
CAS Name: silver 2-hydroxybenzoate
OPENEYE Name: silver 2-hydroxybenzoate
IUPAC Name: silver 2-hydroxybenzoate
SYSTEMATIC NAME: silver 2-oxidanylbenzoate
MOLECULAR FORMULA: C7H5AgO3
MOLECULAR WEIGHT: 244.981
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Ag+]
Structure:

CAS RN: 18990-72-2
CAS Name: aluminum docosanoate
OPENEYE Name: aluminum docosanoate
IUPAC Name: aluminum docosanoate
SYSTEMATIC NAME: aluminum docosanoate
MOLECULAR FORMULA: C66H129AlO6
MOLECULAR WEIGHT: 1045.708398
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]
Structure:

CAS RN: 18964-31-3
CAS Name: 4,5-dichloro-2-(dichloromethylidene)cyclopent-4-ene-1,3-dione
OPENEYE Name: 4,5-dichloro-2-(dichloromethylene)cyclopent-4-ene-1,3-dione
IUPAC Name: 4,5-dichloro-2-(dichloromethylidene)cyclopent-4-ene-1,3-dione
SYSTEMATIC NAME: 2-[bis(chloranyl)methylidene]-4,5-bis(chloranyl)cyclopent-4-ene-1,3-dione
MOLECULAR FORMULA: C6Cl4O2
MOLECULAR WEIGHT: 245.875
SMILES: C1(=C(C(=O)C(=C(Cl)Cl)C1=O)Cl)Cl
Structure:

CAS RN: 836-44-2
CAS Name: 4-[2-(4-aminophenyl)ethenyl]phenol
OPENEYE Name: 4-[2-(4-aminophenyl)vinyl]phenol
IUPAC Name: 4-[2-(4-aminophenyl)ethenyl]phenol
SYSTEMATIC NAME: 4-[2-(4-aminophenyl)ethenyl]phenol
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)N
Structure:

CAS RN: 18922-88-8
CAS Name: 3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethyl-2-porphyrin-21,24-diidyl]propanoate; hydron; iron(2+)
OPENEYE Name: ferrous; 3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethyl-porphyrin-21,24-diid-2-yl]propanoate; hydron
IUPAC Name: 3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate; hydron; iron(2+)
SYSTEMATIC NAME: hydron; iron(2+); 3-[3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate
MOLECULAR FORMULA: C30H28FeN4O4
MOLECULAR WEIGHT: 564.41272
SMILES: [H+].[H+].CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3)C.[Fe+2]
Structure:

CAS RN: 2210-36-8
CAS Name: 1,1-diethylaziridin-1-ium
OPENEYE Name: 1,1-diethylaziridin-1-ium
IUPAC Name: 1,1-diethylaziridin-1-ium
SYSTEMATIC NAME: 1,1-diethylaziridin-1-ium
MOLECULAR FORMULA: C6H14N+
MOLECULAR WEIGHT: 100.18206
SMILES: CC[N+]1(CC1)CC
Structure:

CAS RN: 18899-07-5
CAS Name: 1,1-diethylaziridin-1-ium
OPENEYE Name: 1,1-diethylaziridin-1-ium
IUPAC Name: 1,1-diethylaziridin-1-ium
SYSTEMATIC NAME: 1,1-diethylaziridin-1-ium
MOLECULAR FORMULA: C6H14N+
MOLECULAR WEIGHT: 100.18206
SMILES: CC[N+]1(CC1)CC
Structure:

CAS RN: 1925-98-0
CAS Name: [(2R)-3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium chloride
OPENEYE Name: [(2R)-3-carboxy-2-hexadecanoyloxy-propyl]-trimethyl-ammonium chloride
IUPAC Name: [(2R)-3-carboxy-2-hexadecanoyloxypropyl]-trimethylazanium chloride
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C23H46ClNO4
MOLECULAR WEIGHT: 436.06864
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
Structure:

CAS RN: 18877-64-0
CAS Name: [(2R)-3-carboxy-2-(1-oxohexadecoxy)propyl]-trimethylammonium chloride
OPENEYE Name: [(2R)-3-carboxy-2-hexadecanoyloxy-propyl]-trimethyl-ammonium chloride
IUPAC Name: [(2R)-3-carboxy-2-hexadecanoyloxypropyl]-trimethylazanium chloride
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C23H46ClNO4
MOLECULAR WEIGHT: 436.06864
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
Structure:

CAS RN: 18866-87-0
CAS Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
OPENEYE Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
IUPAC Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
SYSTEMATIC NAME: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
MOLECULAR FORMULA: C27H48O4
MOLECULAR WEIGHT: 436.66762
SMILES: C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
Structure:

CAS RN: 21602-52-8
CAS Name: 1-(methoxymethyl)piperidine
OPENEYE Name: 1-(methoxymethyl)piperidine
IUPAC Name: 1-(methoxymethyl)piperidine
SYSTEMATIC NAME: 1-(methoxymethyl)piperidine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: COCN1CCCCC1
Structure:

CAS RN: 12550-23-1
CAS Name: dysprosium(3+) triacetate
OPENEYE Name: dysprosium(3+) triacetate
IUPAC Name: dysprosium(3+) triacetate
SYSTEMATIC NAME: dysprosium(3+) triethanoate
MOLECULAR FORMULA: C6H9DyO6
MOLECULAR WEIGHT: 339.63206
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Dy+3]
Structure:

CAS RN: 18779-07-2
CAS Name: dysprosium(3+) triacetate
OPENEYE Name: dysprosium(3+) triacetate
IUPAC Name: dysprosium(3+) triacetate
SYSTEMATIC NAME: dysprosium(3+) triethanoate
MOLECULAR FORMULA: C6H9DyO6
MOLECULAR WEIGHT: 339.63206
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Dy+3]
Structure:

CAS RN: 18719-03-4
CAS Name: tetrasodium 2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate
OPENEYE Name: tetrasodium 2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate
IUPAC Name: tetrasodium 2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate
SYSTEMATIC NAME: tetrasodium 2-[3-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]propyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C11H14N2Na4O8
MOLECULAR WEIGHT: 394.19654
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:

CAS RN: 18699-38-2
CAS Name: benzene-1,2-dicarboxylic acid dicyclopentyl ester
OPENEYE Name: dicyclopentyl benzene-1,2-dicarboxylate
IUPAC Name: dicyclopentyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dicyclopentyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C18H22O4
MOLECULAR WEIGHT: 302.36488
SMILES: C1CCC(C1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCC3
Structure:

CAS RN: 21398-79-8
CAS Name: (3,3-dimethyl-2-oxiranyl)methanol
OPENEYE Name: (3,3-dimethyloxiran-2-yl)methanol
IUPAC Name: (3,3-dimethyloxiran-2-yl)methanol
SYSTEMATIC NAME: (3,3-dimethyloxiran-2-yl)methanol
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CC1(C(O1)CO)C
Structure:

CAS RN: 21326-18-1
CAS Name: (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
OPENEYE Name: (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
IUPAC Name: (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
SYSTEMATIC NAME: (1S)-6-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
MOLECULAR FORMULA: C20H26NO4+
MOLECULAR WEIGHT: 344.42474
SMILES: C[N+]1(CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)O)O)OC)C
Structure:

CAS RN: 18431-51-1
CAS Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
OPENEYE Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SYSTEMATIC NAME: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
MOLECULAR FORMULA: C6H11N5
MOLECULAR WEIGHT: 153.18504
SMILES: C1=C(NC=N1)CCN=C(N)N
Structure:

CAS RN: 5435-19-8
CAS Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
OPENEYE Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SYSTEMATIC NAME: 2-[2-(1H-imidazol-5-yl)ethyl]guanidine
MOLECULAR FORMULA: C6H11N5
MOLECULAR WEIGHT: 153.18504
SMILES: C1=C(NC=N1)CCN=C(N)N
Structure:

CAS RN: 21323-10-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: CCCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O
Structure:

CAS RN: 18426-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: CCCN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O
Structure:

CAS RN: 18274-25-4
CAS Name: trioxido(oxo)phosphorane
OPENEYE Name: trioxido(oxo)-$l^{5}-phosphane
IUPAC Name: trioxido(oxo)-$l^{5}-phosphane
SYSTEMATIC NAME: tris(oxidanidyl)-oxidanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: O4P-3
MOLECULAR WEIGHT: 95.971507
SMILES: [O-][32P](=O)([O-])[O-]
Structure:

CAS RN: 18266-28-9
CAS Name: strontium diphosphate
OPENEYE Name: strontium diphosphate
IUPAC Name: strontium diphosphate
SYSTEMATIC NAME: strontium diphosphate
MOLECULAR FORMULA: O8P2Sr-4
MOLECULAR WEIGHT: 277.562722
SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Sr+2]
Structure:

CAS RN: 18233-96-0
CAS Name: americium-238
OPENEYE Name: americium-238
IUPAC Name: americium-238
SYSTEMATIC NAME: americium-238
MOLECULAR FORMULA: Am
MOLECULAR WEIGHT: 238.05198
SMILES: [238Am]
Structure:

CAS RN: 2126-63-8
CAS Name: acetic acid [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-1-acetyl-3-acetyloxy-5-methyl-2-piperidinyl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] ester
OPENEYE Name: [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-3-acetoxy-1-acetyl-5-methyl-2-piperidyl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] acetate
IUPAC Name: [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] acetate
SYSTEMATIC NAME: [(3S,6aS,6bS,9S,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-3-acetyloxy-1-ethanoyl-5-methyl-piperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,6b,7,8,9,11,11a-dodecahydrobenzo[a]fluoren-3-yl] ethanoate
MOLECULAR FORMULA: C33H49NO5
MOLECULAR WEIGHT: 539.74586
SMILES: C[C@H]1C[C@H]([C@@H](N(C1)C(=O)C)[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4CC3=C2C)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 21263-37-6
CAS Name: (7S,9R,10R)-9-ethyl-4,7,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: (7S,9R,10R)-9-ethyl-4,7,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: (7S,9R,10R)-9-ethyl-4,7,9,10,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: (7S,9R,10R)-9-ethyl-4,7,9,10,11-pentakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C20H18O7
MOLECULAR WEIGHT: 370.35272
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1O)C(=C3C(=C2)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O
Structure:

CAS RN: 18107-18-1
CAS Name: diazomethyl(trimethyl)silane
OPENEYE Name: diazomethyl(trimethyl)silane
IUPAC Name: diazomethyl(trimethyl)silane
SYSTEMATIC NAME: diazomethyl(trimethyl)silane
MOLECULAR FORMULA: C4H10N2Si
MOLECULAR WEIGHT: 114.2211
SMILES: C[Si](C)(C)C=[N+]=[N-]
Structure:

CAS RN: 2125-81-7
CAS Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5S,9R,10R,13R)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,5,14-tetrakis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C1(CCC2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Structure:

CAS RN: 18069-14-2
CAS Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
OPENEYE Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
IUPAC Name: (2S,3R,5S,9R,10R,13R)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: (2S,3R,5S,9R,10R,13R)-10,13-dimethyl-17-[(2R,3R)-6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,5,14-tetrakis(oxidanyl)-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C1(CCC2[C@](C)([C@@H](CCC(C)(C)O)O)O)O
Structure:

CAS RN: 61825-98-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO3
MOLECULAR WEIGHT: 429.63522
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O
Structure:

CAS RN: 17994-15-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N3O3
MOLECULAR WEIGHT: 335.35658
SMILES: C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)([O-])[O-]
Structure:

CAS RN: 2123-19-5
CAS Name: (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f]isobenzofuran-3-one
OPENEYE Name: (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f]isobenzofuran-3-one
IUPAC Name: (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
SYSTEMATIC NAME: (9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one
MOLECULAR FORMULA: C21H18O6
MOLECULAR WEIGHT: 366.36402
SMILES: COC1=C(C=C2C(=C1)C[C@H]3COC(=O)C3=C2C4=CC5=C(C=C4)OCO5)OC
Structure:

CAS RN: 17954-98-2
CAS Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O
Structure:

CAS RN: 17950-40-2
CAS Name: triethyloxonium hexafluorophosphate
OPENEYE Name: triethyloxonium hexafluorophosphate
IUPAC Name: triethyloxidanium hexafluorophosphate
SYSTEMATIC NAME: triethyloxidanium hexafluorophosphate
MOLECULAR FORMULA: C6H15F6OP
MOLECULAR WEIGHT: 248.14688
SMILES: CC[O+](CC)CC.F[P-](F)(F)(F)(F)F
Structure:

CAS RN: 17946-87-1
CAS Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
OPENEYE Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
IUPAC Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
SYSTEMATIC NAME: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
Structure:

CAS RN: 79448-19-4
CAS Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
OPENEYE Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
IUPAC Name: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
SYSTEMATIC NAME: (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C
Structure:

CAS RN: 21224-54-4
CAS Name: 1-[4-methyl-2-(prop-2-enylamino)-5-thiazolyl]ethanone
OPENEYE Name: 1-[2-(allylamino)-4-methyl-thiazol-5-yl]ethanone
IUPAC Name: 1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanone
SYSTEMATIC NAME: 1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanone
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: CC1=C(SC(=N1)NCC=C)C(=O)C
Structure:

CAS RN: 21224-42-0
CAS Name: 2-bromo-N-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolidinyl)acetamide
OPENEYE Name: 2-bromo-N-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidin-3-yl)acetamide
IUPAC Name: 2-bromo-N-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrolidin-3-yl)acetamide
SYSTEMATIC NAME: 2-bromanyl-N-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrolidin-3-yl)ethanamide
MOLECULAR FORMULA: C10H18BrN2O2
MOLECULAR WEIGHT: 278.16612
SMILES: CC1(CC(C(N1[O])(C)C)NC(=O)CBr)C
Structure:

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